rel-(13xi,14xi,17xi,19E)-19-[2-(2-chloro-4-nitrobenzoyl)hydrazinylidene]-3,5,14-trihydroxy-10xi-card-20(22)-enolide
Chemical Structure Depiction of
rel-(13xi,14xi,17xi,19E)-19-[2-(2-chloro-4-nitrobenzoyl)hydrazinylidene]-3,5,14-trihydroxy-10xi-card-20(22)-enolide
rel-(13xi,14xi,17xi,19E)-19-[2-(2-chloro-4-nitrobenzoyl)hydrazinylidene]-3,5,14-trihydroxy-10xi-card-20(22)-enolide
Compound characteristics
| Compound ID: | K087-0199 |
| Compound Name: | rel-(13xi,14xi,17xi,19E)-19-[2-(2-chloro-4-nitrobenzoyl)hydrazinylidene]-3,5,14-trihydroxy-10xi-card-20(22)-enolide |
| Molecular Weight: | 602.08 |
| Molecular Formula: | C30 H36 Cl N3 O8 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12/C=N/NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7453 |
| logD: | 2.7363 |
| logSw: | -3.7704 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 136.965 |
| InChI Key: | UNUCCJSFGMVRKV-HBLBNTHMSA-N |